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ASINEX-ZINC00921433

 MMsINC code: MMs00221351
Type: Neutral
Formula: C28H32N4O3
SMILES:   O(C)c1ccc(cc1)C(N(C(=O)c1nccnc1)c1ccc(cc1)CC)C(=O)NC1CCCCC1
InChI:   InChI=1/C28H32N4O3/c1-3-20-9-13-23(14-10-20)32(28(34)25-19-29-17-18-30-25)26(21-11-15-24(35-2)16-12-21)27(33)31-22-7-5-4-6-8-22/h9-19,22,26H,3-8H2,1-2H3,(H,31,33)/t26-/m1/s1

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Potential Energy
Epot(MMFF94)=189.253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 472.589 g/mol  logS: -5.33665  SlogP: 4.98007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159441  Sterimol/B1: 3.13646  Sterimol/B2: 5.85221  Sterimol/B3: 6.5998
  Sterimol/B4: 8.28401  Sterimol/L: 17.6201 
 
 Surface and Volume Properties
  Accessible surface: 743.47  Positive charged surface: 569.771  Negative charged surface: 173.7  Volume: 466.25
  Hydrophobic surface: 647.48  Hydrophilic surface: 95.99
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.